UCSF

ZINC34677708

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 31 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.32 4.14 -50.23 2 8 1 77 432.52 6
Mid Mid (pH 6-8) 1.32 1.88 -10.76 1 8 0 76 431.512 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )